4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine

C13H15BrF3N — CID 86692008

IUPAC4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrF3N/c14-12-3-1-10(2-4-12)11-5-7-18(8-6-11)9-13(15,16)17/h1-4,11H,5-9H2
InChIKeyQSIAHDKKTFWNLJ-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.19
Rot. Bonds2

About 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine

4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 86692008) has the molecular formula C13H15BrF3N and a molecular weight of 322.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID86692008
Molecular FormulaC13H15BrF3N
Molecular Weight322.17 g/mol
Exact Mass321.03
IUPAC Name4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine
SMILESFC(F)(F)CN1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrF3N/c14-12-3-1-10(2-4-12)11-5-7-18(8-6-11)9-13(15,16)17/h1-4,11H,5-9H2
InChIKeyQSIAHDKKTFWNLJ-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine (CID 86692008) is 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine is FC(F)(F)CN1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is QSIAHDKKTFWNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N/c14-12-3-1-10(2-4-12)11-5-7-18(8-6-11)9-13(15,16)17/h1-4,11H,5-9H2.
What are the key properties of 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine?
4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 322.17 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 86692008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).